[Pw_forum] About: the system is metallic, specify occupations?

Giovanni Cantele Giovanni.Cantele at na.infn.it
Wed Nov 22 09:11:10 CET 2006


Rahmat Gunawan wrote:
> I need your help, is it true input? because at output file write: "the
> system is metallic, specify occupations?" I do not understand about this
> statements.
>
> Thanks very much, succes for your research
>
>
>   
You may want to have a look to the user guide, pag. 56 (sec. 
Troubleshooting)

http://www.pwscf.org/guide/3.1.1/other/users-guide-3.1.1.pdf

to the Doc/INPUT_PW file, as well as to examples/example01 where a 
couple of examples on how to deal with metallic systems are given.

Giovanni

-- 



Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. G
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Fax:   +39 081 676346
E-mail: Giovanni.Cantele at na.infn.it
Web: http://people.na.infn.it/~cantele




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